C3H8   -   Propane

Molecular constants for propane
Parameter Ground State Ref. νn = 11 State νn = 12 State Ref.
Rotational Constants
A [MHz] 29 207.4815(31) 85022 29 166.55 29 088.18 67033
B [MHz] 8445.967 70(71) 8432.45 8415.31
C [MHz] 7459.001 96(73) 7449.47 7445.81
ΔJ [kHz] 7.192 96(86)  
ΔJK [kHz] -26.9670(83)
ΔK [kHz] 159.845(94)
δJ [kHz] 1.396 93(42)
δK [kHz] 3.0585(75)
φJK [Hz] 0.0296(101)
φKJ [Hz] -1.423(168)
φK [Hz] 5.52(92)
φJ [Hz] 0.003 68(28)
Internal Rotation Constants
ω1(s) -0.1909(29) x 10-5 85023  
θa 35.17(64)
θb 54.83(64) 57.07 73084
Iα (u Å2) 3.198(21) 3.13
s 80.22(15) 80.10(25)
F [GHz] 183.99(121) 191.64
V3 (cm-1) 1108.(10) 1153.(4)
V′12 (cm-1)   -51.8(8)
Electric Dipole Moment
µb [C · m]
    µb [D]		 0.2829(33) x 10-30 
    0.0848(10) a		 66042  
 
a Average of values for several transitions.

 

 

Rotational constants and electric dipole moment for 13C and deuterated isotopic species of propane
Isotopic Species A [MHz] B [MHz] C [MHz] Ref.
Rotational Constants
13CH3CH2CH3 29 092.05(10) 8228.77(10) 7281.73(10) 60009
CH313CH2CH3 28 660.90(10) 8447.11(10) 7423.19(10)
CH3CHDCH3 25 829.94(10) 8358.76(10) 7283.00(10)
sym-CH2DCH2CH3 29 017.79(10) 7838.32(10) 6971.96(10)
asy-CH2DCH2CH3 26 828.97(10) 8123.10(10 7185.14(10)
Electric Dipole Moment
CH3CD2CH3 µb [C · m]
    µb [D]		 0.317(3) × 10-30 
    0.095(1) a		 66042
CD3CH2CD3 µb [C · m]
    µb [D]		 0.254(3) x 10-30 
    0.076(1) a
 
a Average of values for several transitions.

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